Shear response of the Sigma 9 < 110 > {221} symmetric tilt grain boundary in fcc metals studied by atomistic simulation methods

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	Shear response of the Sigma 9 < 110 > {221} symmetric tilt grain boundary in fcc metals studied by atomistic simulation methods
	L. A. Wan ; S. Q. Wang
刊名	Physical Review B
	2010
卷号	82 期号:21
关键词	sliding resistance molecular-dynamics cubic-crystals misorientation dependence dislocations copper nanocrystalline deformation aluminum stress
ISSN号	1098-0121
中文摘要	The shear response of the Sigma 9 < 110 > {221} symmetric tilt grain boundary (GB) in three fcc metals Cu, Al, and Ni has been studied by atomistic simulation methods with the embedded atom method for interatomic potentials and with a bicrystal model. By applying an energy minimization procedure, it was found that there are two optimized structures of this particular GB at zero temperature for all the three metals studied. Shear of bicrystals at room temperature has been studied by the molecular-dynamics simulation method. Various kinds of structure evolution behavior have been found for this GB depending on the shear direction: (1) pure GB sliding; (2) GB atomic shuffling accompanied by lattice dislocation emission from the GB; and (3) GB migration coupled with GB sliding, namely, GB coupling motion. The GB coupling motions can differ in the direction and distance of the GB migration depending on the shear direction. An analysis with the aid of the coincidence site lattice theory indicates that the structure evolution behavior can be attributed to several elementary structure transformations inherent to this particular GB. A pair parameter (lambda, kappa) is proposed to describe the GB coupling motions.
原文出处	://WOS:000286750100001
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/31485]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	L. A. Wan,S. Q. Wang. Shear response of the Sigma 9 < 110 > {221} symmetric tilt grain boundary in fcc metals studied by atomistic simulation methods[J]. Physical Review B,2010,82(21).
APA	L. A. Wan,&S. Q. Wang.(2010).Shear response of the Sigma 9 < 110 > {221} symmetric tilt grain boundary in fcc metals studied by atomistic simulation methods.Physical Review B,82(21).
MLA	L. A. Wan,et al."Shear response of the Sigma 9 < 110 > {221} symmetric tilt grain boundary in fcc metals studied by atomistic simulation methods".Physical Review B 82.21(2010).